SCHEMBL1428091

SCHEMBL1428091

COc1cc(Cl)c(C=O)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.62
LMNA P02545 2/20 0.50
ALDH1A1 P00352 3/20 0.47
ABCG2 Q9UNQ0 2/20 0.44
CYP1A1 P04798 3/20 0.43
CYP1B1 Q16678 3/20 0.43
CYP1A2 P05177 3/20 0.43
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL207231 0.88 ERN1 (0.50) ERN1LMNAALDH1A1CYP1A1CYP1B1
2,4,6-Trimethoxybenzaldehyde SCHEMBL34873 0.86 ERN1 (0.74) ERN1LMNAALDH1A1ABCG2CYP1A1
2,4,6-Trimethoxybenzaldehyde SCHEMBL28687257 0.84 ERN1 (0.71) ERN1LMNAALDH1A1ABCG2CYP1A1
SCHEMBL5623138 0.83 ERN1 (0.71) ERN1LMNAALDH1A1ABCG2CYP3A4
SCHEMBL1251300 0.82 ERN1 (0.53) ERN1LMNAALDH1A1CYP1A2PRKDC
2,4,6-Trimethoxybenzaldehyde SCHEMBL28687256 0.82 ERN1 (0.75) ERN1LMNAALDH1A1ABCG2CYP1A1
SCHEMBL28243418 0.81 ERN1 (0.44) ERN1LMNAALDH1A1ABCG2CYP1A1
SCHEMBL23783406 0.79 ERN1 (0.50) ERN1LMNAALDH1A1CYP1A2PRKDC
SCHEMBL1459113 0.79 ERN1 (0.43) ERN1LMNAALDH1A1CYP1A1CYP1B1
SCHEMBL30230047 0.78 ERN1 (0.65) ERN1LMNAALDH1A1ABCG2CYP1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed
EP-2970339-B1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS LILLY CO ELI (US) 2017-08-16 EP disclosed
US-9617285-B2 1-hydroxy-benzooxaboroles as antiparasitic agents ELI LILLY AND COMPANY (US) 2017-04-11 US disclosed
CN-105051048-B 1-hydroxy-benzoxaboroles as antiparasitic agents 伊莱利利公司 2017-03-15 CN disclosed
EP-2970339-A1 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS Eli Lilly and Company (US) 2016-01-20 EP disclosed
US-9216980-B2 Methods of use of diazacarbazoles for treating cancer GENENTECH, INC. (US) 2015-12-22 US disclosed
US-20150353581-A1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS ELI LILLY AND COMPANY (US) 2015-12-10 US disclosed
CN-105051048-A 1-hydroxy-benzoxaboroles as antiparasitic agents LILLY CO ELI 2015-11-11 CN disclosed
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2015-03-26 US disclosed
US-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERAMEX (FR) 2009-01-22 US disclosed
CN-101080395-A Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents THERAMEX (MC) 2007-11-28 CN disclosed
EP-1812404-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2007-08-01 EP disclosed
US-7226945-B2 Estrogen receptor-β ligands ASTRAZENECA AB (SE) 2007-06-05 US disclosed
WO-2006040351-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2006-04-20 WO disclosed
EP-1647549-A1 Indazoles, benzisoxazoles and benzisothiazoles as estrogenic agents LABORATOIRE THERAMEX (MC) 2006-04-19 EP disclosed
US-20050043350-A9 Estrogen Receptor-beta ligands ASTRAZENECA AB (SE) 2005-02-24 US disclosed
US-20040039015-A1 Estrogen Receptor-beta ligands BARLAAM BERNARD (FR) 2004-02-26 US disclosed
EP-1326593-A1 ESTROGEN RECEPTOR-$g(b) LIGANDS AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2002030407-A1 ESTROGEN RECEPTOR-β LIGANDS ASTRAZENECA AB (SE) 2002-04-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050043350-A9 Estrogen Receptor-beta ligands ESR2, GPER1, ESR1 ERN1 1985/4885LMNA 4303/4885ALDH1A1 1519/4885
US-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents ESR1, ESR2, GPER1 ERN1 1233/4885LMNA 3061/4885ALDH1A1 570/4885
US-20150353581-A1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS HAO1, CYP8B1, KMO ERN1 3051/4885LMNA 4151/4885ALDH1A1 518/4885
US-20040039015-A1 Estrogen Receptor-beta ligands ESR2, GPER1, ESRRG ERN1 1552/4885LMNA 4363/4885ALDH1A1 1336/4885
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 ERN1 4440/4885LMNA 2307/4885ALDH1A1 220/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.